N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

C48H33NO — CID 121311269

IUPACN,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)41-17-7-10-20-45(41)49(40-31-32-44-43-19-9-12-22-47(43)50-48(44)33-40)46-21-11-8-18-42(46)39-29-25-37(26-30-39)35-15-5-2-6-16-35/h1-33H
InChIKeyJKHUCADHLXNRDS-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 121311269) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID121311269
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)41-17-7-10-20-45(41)49(40-31-32-44-43-19-9-12-22-47(43)50-48(44)33-40)46-21-11-8-18-42(46)39-29-25-37(26-30-39)35-15-5-2-6-16-35/h1-33H
InChIKeyJKHUCADHLXNRDS-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 121311269) is N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is JKHUCADHLXNRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-13-34(14-4-1)36-23-27-38(28-24-36)41-17-7-10-20-45(41)49(40-31-32-44-43-19-9-12-22-47(43)50-48(44)33-40)46-21-11-8-18-42(46)39-29-25-37(26-30-39)35-15-5-2-6-16-35/h1-33H.
What are the key properties of N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 121311269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).